SCHEMBL5356236

SCHEMBL5356236

Nc1cc(-c2cn(-c3ccc(=O)[nH]n3)nc2-c2ccc(F)cc2)ccn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 3/20 0.40
SRC P12931 2/20 0.40
KDR P35968 2/20 0.40
MAPK14 Q16539 8/20 0.40
KCNH2 Q12809 3/20 0.40
PDE4A P27815 1/20 0.40
PDE4B Q07343 1/20 0.40
PDE4D Q08499 1/20 0.40
CSNK1D P48730 6/20 0.40
CSNK1E P49674 4/20 0.40
MAPK11 Q15759 7/20 0.39
MAPK13 O15264 5/20 0.39
MAPK12 P53778 5/20 0.39
PDE3B Q13370 2/20 0.36
PDE3A Q14432 2/20 0.36
MAPK3 P27361 1/20 0.35
MAPK1 P28482 1/20 0.35
MAPK10 P53779 1/20 0.35
ADORA2A P29274 2/20 0.35
ADORA1 P30542 2/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5355647 0.90 PDE3B (0.38) BRAFSRCKDRMAPK14KCNH2
SCHEMBL5347090 0.90 DYRK1A (0.38) BRAFSRCKDRKCNH2PDE3B
SCHEMBL5354079 0.89 MAPK10 (0.38) BRAFSRCKDRMAPK14KCNH2
SCHEMBL5358776 0.89 PIK3C3 (0.37) BRAFMAPK14KCNH2MAPK3MAPK1
SCHEMBL5347539 0.89 FYN (0.37) BRAFMAPK3MAPK1MAPK10
SCHEMBL5367546 0.89 PDE3B (0.38) BRAFMAPK14KCNH2PDE4APDE4B
SCHEMBL5354755 0.87 PIK3C3 (0.38) KCNH2PDE3BPDE3AMAPK10ADORA2A
SCHEMBL5353743 0.87 BRAF (0.40) BRAFSRCKDRMAPK14KCNH2
SCHEMBL5361108 0.86 BRAF (0.38) BRAFSRCKDRMAPK14MAPK3
SCHEMBL5360099 0.86 MAPK14 (0.41) BRAFSRCKDRMAPK14KCNH2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1553096-B1 PYRAZOLE COMPOUNDS UBE INDUSTRIES (JP) 2012-10-31 EP claimed
CN-100519552-C Pyrazole compounds UBE INDUSTRIES (JP) 2009-07-29 CN claimed
US-7294625-B2 Pyrazole compounds UBE INDUSTRIES, LTD. (JP) 2007-11-13 US claimed
US-20060063934-A1 3-Pyridazonyl- or triazolopyridazinyl- 4-pyridinyl- or pyrimidinyl- pyrazoles, e.g., 4-(2-aminopyridin-4-yl)-3-phenyl-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-1H-pyrazole; p38MAP kinase inhibitors, used to treat rheumatoid arthritis UBE INDUSTRIES, LTD. (JP) 2006-03-23 US claimed
CN-1684953-A Pyrazole compounds UBE INDUSTRIES (JP) 2005-10-19 CN claimed
EP-1553096-A1 PYRAZOLE COMPOUNDS Ube Industries, Ltd. (JP) 2005-07-13 EP claimed
EP-1553096-B1 PYRAZOLE COMPOUNDS UBE INDUSTRIES (JP) 2012-10-31 EP disclosed
CN-100519552-C Pyrazole compounds UBE INDUSTRIES (JP) 2009-07-29 CN disclosed
US-7294625-B2 Pyrazole compounds UBE INDUSTRIES, LTD. (JP) 2007-11-13 US disclosed
US-20060063934-A1 3-Pyridazonyl- or triazolopyridazinyl- 4-pyridinyl- or pyrimidinyl- pyrazoles, e.g., 4-(2-aminopyridin-4-yl)-3-phenyl-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-1H-pyrazole; p38MAP kinase inhibitors, used to treat rheumatoid arthritis UBE INDUSTRIES, LTD. (JP) 2006-03-23 US disclosed
CN-1684953-A Pyrazole compounds UBE INDUSTRIES (JP) 2005-10-19 CN disclosed
EP-1553096-A1 PYRAZOLE COMPOUNDS Ube Industries, Ltd. (JP) 2005-07-13 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060063934-A1 3-Pyridazonyl- or triazolopyridazinyl- 4-pyridinyl- or pyrimidinyl- pyrazoles, e.g., 4-(2-aminopyridin-4-yl)-3-phenyl-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-1H-pyrazole; p38MAP kinase inhibitors, used to treat rheumatoid arthritis CNKSR1, MAPK1, MAPK3 BRAF 19/4885SRC 216/4885KDR 813/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.